1-(2-chlorophenyl)-3-hydroxypiperidin-2-one

C11H12ClNO2 — CID 117014113

IUPAC1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
SMILESO=C1C(O)CCCN1c1ccccc1Cl
InChIInChI=1S/C11H12ClNO2/c12-8-4-1-2-5-9(8)13-7-3-6-10(14)11(13)15/h1-2,4-5,10,14H,3,6-7H2
InChIKeyRDNDASPBRRBISQ-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.83
Rot. Bonds1

About 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one

1-(2-chlorophenyl)-3-hydroxypiperidin-2-one (PubChem CID 117014113) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
PubChem CID117014113
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
SMILESO=C1C(O)CCCN1c1ccccc1Cl
InChIInChI=1S/C11H12ClNO2/c12-8-4-1-2-5-9(8)13-7-3-6-10(14)11(13)15/h1-2,4-5,10,14H,3,6-7H2
InChIKeyRDNDASPBRRBISQ-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one (CID 117014113) is 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one is O=C1C(O)CCCN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one?
The InChIKey is RDNDASPBRRBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-8-4-1-2-5-9(8)13-7-3-6-10(14)11(13)15/h1-2,4-5,10,14H,3,6-7H2.
What are the key properties of 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one?
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 117014113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).